Itraconazole, (R)-(-)-
TL;DR: Itraconazole, (R)-(-)- (CAS 154003-19-7) is a chemical compound with molecular formula C35H38Cl2N8O4 and molecular weight 704.2393 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2R)-butan-2-yl]-4-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
Also Known As: itraconazole, Itraconazole, (R)-(-)-, (2R,4S,2'R)-Itraconazole, 1-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one, 3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-(((2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)-2,4-dihydro-2-((1R)-1-methylpropyl)-
Technical Specifications
| Molecular Formula | C35H38Cl2N8O4 |
| Molecular Weight | 704.2393 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 704.2393 Da |
| Heavy Atoms | 49 |
| Complexity | 1120.0 |
| SMILES | CC[C@@H](C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@@H]5CO[C@@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl |
| InChIKey | VHVPQPYKVGDNFY-DKYCYSLVSA-N |
Chemical Property Profile of Itraconazole, (R)-(-)-
Property Insights of Itraconazole, (R)-(-)-
The XLogP value of 5.7 indicates that Itraconazole, (R)-(-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Itraconazole, (R)-(-)-. Following Lipinski's Rule of Five, Itraconazole, (R)-(-)- has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Itraconazole, (R)-(-)-?
The CAS number of Itraconazole, (R)-(-)- is 154003-19-7.
What is the molecular formula of Itraconazole, (R)-(-)-?
The molecular formula of Itraconazole, (R)-(-)- is C35H38Cl2N8O4.
What is the molecular weight of Itraconazole, (R)-(-)-?
The molecular weight of Itraconazole, (R)-(-)- is 704.2393 g/mol.
Where can I buy Itraconazole, (R)-(-)-?
You can request a quote for Itraconazole, (R)-(-)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Itraconazole, (R)-(-)-?
Yes, CoreyChem provides custom synthesis services for Itraconazole, (R)-(-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.